Page 1 of 1

Band-decomposed charge density

Posted: Wed Sep 26, 2012 4:35 pm
by dholec
Hi, I am trying to calculated charge density corresponding to a given energy range (or alternatively to some specific bands). I have found in the User's Guide some switches such as IBAND and EINT, but when I run the calculation with them, I get no PARCHG files.

Does anyone have any experience with this property? Do I need to compile the code in some special way? I am using VASP4.6.

Thanks in advance!

Band-decomposed charge density

Posted: Thu Sep 27, 2012 8:05 am
by dholec
This was my mistake, I missed the line LPARD=True in the INCAR, thus could not get any desired results. Now all works fine, as described in the UG. David